3-decyl-4-pentyl-2-phenylphenol

C27H40O — CID 66867188

IUPAC3-decyl-4-pentyl-2-phenylphenol
SMILESCCCCCCCCCCc1c(CCCCC)ccc(O)c1-c1ccccc1
InChIInChI=1S/C27H40O/c1-3-5-7-8-9-10-11-16-20-25-23(17-13-6-4-2)21-22-26(28)27(25)24-18-14-12-15-19-24/h12,14-15,18-19,21-22,28H,3-11,13,16-17,20H2,1-2H3
InChIKeyRMLZJXJGYLZVGS-UHFFFAOYSA-N
MW380.62 g/mol
LogP8.48
Rot. Bonds14

About 3-decyl-4-pentyl-2-phenylphenol

3-decyl-4-pentyl-2-phenylphenol (PubChem CID 66867188) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is 3-decyl-4-pentyl-2-phenylphenol.

Molecular Properties

Compound Name3-decyl-4-pentyl-2-phenylphenol
PubChem CID66867188
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name3-decyl-4-pentyl-2-phenylphenol
SMILESCCCCCCCCCCc1c(CCCCC)ccc(O)c1-c1ccccc1
InChIInChI=1S/C27H40O/c1-3-5-7-8-9-10-11-16-20-25-23(17-13-6-4-2)21-22-26(28)27(25)24-18-14-12-15-19-24/h12,14-15,18-19,21-22,28H,3-11,13,16-17,20H2,1-2H3
InChIKeyRMLZJXJGYLZVGS-UHFFFAOYSA-N
XLogP8.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
3,4-dibutyl-2-phenylphenol;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 87504446
3,4-diheptyl-2-hexylphenol
CID 66866250
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
3-dodecyl-4-hexyl-2-(2-phenylpropan-2-yl)phenol
CID 66866753
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
4-butyl-3-dodecyl-2-(2-phenylpropan-2-yl)phenol
CID 66866156
4-butyl-3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866749
4,5-diheptyl-2-(4-methoxyphenyl)-3-phenylphenol
CID 174287506

Frequently Asked Questions

What is the IUPAC name of 3-decyl-4-pentyl-2-phenylphenol?
The IUPAC name of 3-decyl-4-pentyl-2-phenylphenol (CID 66867188) is 3-decyl-4-pentyl-2-phenylphenol.
What is the SMILES notation for 3-decyl-4-pentyl-2-phenylphenol?
The canonical SMILES for 3-decyl-4-pentyl-2-phenylphenol is CCCCCCCCCCc1c(CCCCC)ccc(O)c1-c1ccccc1.
What is the InChIKey of 3-decyl-4-pentyl-2-phenylphenol?
The InChIKey is RMLZJXJGYLZVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O/c1-3-5-7-8-9-10-11-16-20-25-23(17-13-6-4-2)21-22-26(28)27(25)24-18-14-12-15-19-24/h12,14-15,18-19,21-22,28H,3-11,13,16-17,20H2,1-2H3.
What are the key properties of 3-decyl-4-pentyl-2-phenylphenol?
3-decyl-4-pentyl-2-phenylphenol has a molecular weight of 380.62 g/mol, XLogP of 8.48, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decyl-4-pentyl-2-phenylphenol is sourced from PubChem (CID 66867188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).